Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 14/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | SGPL1 | O95470 | 7/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5687011 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL5683721 | 0.99 | CYP3A4 (0.43) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL5684309 | 0.96 | CYP3A4 (0.39) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL5684693 | 0.92 | CYP3A4 (0.34) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL14526399 | 0.87 | CYP3A4 (0.38) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL5686434 | 0.87 | TRPV4 (0.33) | DRD2DRD3 | |
| SCHEMBL5684068 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL5685226 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL5687050 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 | |
| SCHEMBL5687345 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2C8S1PR3S1PR1S1PR4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7067179-B1 | Fused ring compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-06-27 | — | — | US | disclosed |
| EP-1201632-B1 | FUSED RING COMPOUND | DAINIPPON INK & CHEMICALS (JP) | 2006-03-29 | — | — | EP | disclosed |
| EP-1201632-A1 | FUSED RING COMPOUND | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-05-02 | — | — | EP | disclosed |